SCHEMBL11021706

SCHEMBL11021706

CCSc1nc(=O)n(CC2(C)CCCC2)c(=O)n1N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11020934 0.86 P2RX3 (0.31)
SCHEMBL11040756 0.79 P2RX3 (0.31) MEN1MAPTKMT2A
SCHEMBL11036030 0.76 P2RX3 (0.31)
SCHEMBL11020046 0.74 P2RX3 (0.33)
SCHEMBL11019826 0.74 GAA (0.37) NPC1MAPK1RAB9ATDP1
SCHEMBL11036799 0.69 P2RX3 (0.33)
SCHEMBL11041379 0.68 HTT (0.33)
SCHEMBL11040125 0.65 P2RX3 (0.30)
SCHEMBL11036058 0.61 ALDH1A1 (0.40) POLBMAPK1RAB9ATDP1MEN1
SCHEMBL10987055 0.59 PDE5A (0.35) TDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160208-A1 3-(2,2-Tetramethylenepropyl)-1,3,5-triazine-2,4-diones BAYER AG (DE) 1985-11-06 EP disclosed